2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

C26H24F3N5O2 — CID 166709988

IUPAC2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCOCC(c1ccccn1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(C)cc2c1
InChIInChI=1S/C26H24F3N5O2/c1-16-11-18-12-17(6-9-21(18)33-24(16)30)25(35)34(23(15-36-2)22-5-3-4-10-31-22)14-20-8-7-19(13-32-20)26(27,28)29/h3-13,23H,14-15H2,1-2H3,(H2,30,33)
InChIKeyINHYVQPBDYGOAK-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.96
Rot. Bonds7

About 2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 166709988) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
PubChem CID166709988
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCOCC(c1ccccn1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(C)cc2c1
InChIInChI=1S/C26H24F3N5O2/c1-16-11-18-12-17(6-9-21(18)33-24(16)30)25(35)34(23(15-36-2)22-5-3-4-10-31-22)14-20-8-7-19(13-32-20)26(27,28)29/h3-13,23H,14-15H2,1-2H3,(H2,30,33)
InChIKeyINHYVQPBDYGOAK-UHFFFAOYSA-N
XLogP4.96
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-[(2R,3R)-3-hydroxybutan-2-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830926
2-amino-N-but-3-yn-2-yl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830381
2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830119
2-amino-3-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830599
2-amino-3-methyl-N-(3-pyrazol-1-ylbutan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830791
2-amino-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166710064
2-amino-3-methyl-N-[(1R)-1-(oxan-4-yl)propyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830827
2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830402
2-amino-3-methyl-N-[(1S,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830050
2-amino-N-[(2,6-difluorophenyl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830825
2-amino-N-but-3-ynyl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830876
2-amino-3-methyl-N-[(3R)-3-pyrazol-1-ylbutyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166710055

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 166709988) is 2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is COCC(c1ccccn1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(C)cc2c1.
What is the InChIKey of 2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The InChIKey is INHYVQPBDYGOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-16-11-18-12-17(6-9-21(18)33-24(16)30)25(35)34(23(15-36-2)22-5-3-4-10-31-22)14-20-8-7-19(13-32-20)26(27,28)29/h3-13,23H,14-15H2,1-2H3,(H2,30,33).
What are the key properties of 2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 495.51 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxy-1-pyridin-2-ylethyl)-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 166709988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).